General Information of the Compound
| Compound ID |
CP0250532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9388139, 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N2O4
|
||||||||||||||||||
| Molecular Weight |
402.45
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N2O4/c1-29-19-13-9-16(10-14-19)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)18-11-7-17(8-12-18)24(27)28/h3-14,22H,15H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGXGRYNXXLPGLY-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound